Information card for entry 4086992

Structure parameters

• Formula: C64 H76 Br2 Cl6 F12 N6 P2 Pd2
• Calculated formula: C64 H76 Br2 Cl6 F12 N6 P2 Pd2
• Title of publication: Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes
• Authors of publication: Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 1
• Pages of publication: 129
• a: 10.1885 ± 0.0003 Å
• b: 23.9972 ± 0.0007 Å
• c: 15.4185 ± 0.0005 Å
• α: 90°
• β: 105.223 ± 0.003°
• γ: 90°
• Cell volume: 3637.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No